BDBM50215877 CHEMBL51326::Ro-092392

SMILES: COC1[C@@H](Cn2cncn2)[C@H](COc2ccc(OC(F)(F)F)cc2)CCC1(C)C

InChI Key: InChIKey=WLUGALZQBLDUBW-LNJPMGEZSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50215877   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM50215877 (CHEMBL51326 | Ro-092392) Show SMILES COC1[C@@H](Cn2cncn2)[C@H](COc2ccc(OC(F)(F)F)cc2)CCC1(C)C Show InChI InChI=1S/C20H26F3N3O3/c1-19(2)9-8-14(17(18(19)27-3)10-26-13-24-12-25-26)11-28-15-4-6-16(7-5-15)29-20(21,22)23/h4-7,12-14,17-18H,8-11H2,1-3H3/t14-,17-,18?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.0490	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description In vitro inhibition of cytochrome P450 lanosterol C14 demethylase in Candida albicans CY1005				Bioorg Med Chem Lett 8: 1819-24 (1998) BindingDB Entry DOI: 10.7270/Q2H997D2
					More data for this Ligand-Target Pair